2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one

C18H18F3N5O3 — CID 58449243

IUPAC2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCc1nc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1
InChIInChI=1S/C18H18F3N5O3/c1-9-24-14(15(29-9)18(19,20)21)11(27)6-10-4-5-23-12(7-10)17(2)8-13(28)26(3)16(22)25-17/h4-5,7H,6,8H2,1-3H3,(H2,22,25)
InChIKeyCILZOWAIOYBSEF-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one (PubChem CID 58449243) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
PubChem CID58449243
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCc1nc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1
InChIInChI=1S/C18H18F3N5O3/c1-9-24-14(15(29-9)18(19,20)21)11(27)6-10-4-5-23-12(7-10)17(2)8-13(28)26(3)16(22)25-17/h4-5,7H,6,8H2,1-3H3,(H2,22,25)
InChIKeyCILZOWAIOYBSEF-UHFFFAOYSA-N
XLogP2.21
TPSA114.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 58431635
2-[6-(1,4-Diazepan-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 58431656
1-[2-Phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 58431740
2-amino-3,6-dimethyl-6-[3-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448598
2-[2-[[(2-Amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 58448781
2-amino-6-[2-fluoro-5-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448867
2-[3-[[(2-Amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 58449156
2-[3-[[(2-Amino-3-pyridinyl)amino]methyl]phenyl]-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 58449305
2-[3-[[(2-Amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
CID 58449318
2-Cyclohexyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-ethyl)-methyl-amino]-pyridin-3-yl}-amide
CID 59301343
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 70233634
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)pyridin-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 70235155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one (CID 58449243) is 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one is Cc1nc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)c(C(F)(F)F)o1.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The InChIKey is CILZOWAIOYBSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-9-24-14(15(29-9)18(19,20)21)11(27)6-10-4-5-23-12(7-10)17(2)8-13(28)26(3)16(22)25-17/h4-5,7H,6,8H2,1-3H3,(H2,22,25).
What are the key properties of 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one has a molecular weight of 409.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58449243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).